(±)-1,2-Dihydro-5-(P-(2-Hydroxy-3-(4-(O-Methoxyphenyl)-1-Piperazinyl)Propoxy)Phenyl)-6-Methyl-2-Oxonicotinonitrile

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Properties Simple | Detailed

Formula C27H30N4O4
IUPAC Name 5-[4-[(2r)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-6-methyl-2-oxo-1h-pyridine-3-carbonitrile
Molecular Mass 474.552 g·mol−1
Heat of Formation -262.0 ± 16.7 kJ·mol−1
Dipole Moment 9.68 ± 1.08 D
Volume 576.1 Å 3
Surface Area 497.13 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey KLEKLDFUYOZELG-JOCHJYFZSA-N
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